N-(4-butylphenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-4-5-6-17-7-9-18(10-8-17)25-21-20(26(27)28)22(24-14-23-21)29-19-12-15(2)11-16(3)13-19/h7-14H,4-6H2,1-3H3,(H,23,24,25)